Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14851
- Core Entity Id
- 19672
- Source Entity Count
- 1
- Preferred Name
- Cryptomerion
- Name En
- Pubchem Id
- 11964091
- Smiles Canonical
- CC1=CCC(CC1=O)C(=C)CCC=C(C)C
- Molecular Formula
- C15H22O
- Molecular Weight
- 218.3400
- Inchikey
- FNSXIWZZZIJORF-CQSZACIVSA-N
- Inchi
- InChI=1S/C15H22O/c1-11(2)6-5-7-12(3)14-9-8-13(4)15(16)10-14/h6,8,14H,3,5,7,9-10H2,1-2,4H3/t14-/m1/s1
- Isomeric Smiles
- CC1=CC[C@H](CC1=O)C(=C)CCC=C(C)C
- Cas Id
- Ob Score
- Mol Logp
- 4.2144
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.6460
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cryptomerion
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cryptomerion
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Cryptomerion
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cryptomerion
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
cryptomerion
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(5R)-2-methyl-5-(6-methylhepta-1,5-dien-2-yl)cyclohex-2-en-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(5R)-2-methyl-5-(6-methylhepta-1,5-dien-2-yl)cyclohex-2-en-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(R)-2-Methyl-5-(6-methylhepta-1,5-dien-2-yl)cyclohex-2-enone
Role
alias
Source
itcmdb_public
Preferred
No
Name
(R)-2-Methyl-5-(6-methylhepta-1,5-dien-2-yl)cyclohex-2-enone
Role
alias
Source
HERB_v2
Preferred
No
Name
(R)-Cryptomerione
Role
alias
Source
HERB_v2
Preferred
No
Name
(R)-Cryptomerione
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Cyclohexen-1-one, 2-methyl-5-(5-methyl-1-methylene-4-hexen-1-yl)-, (5R)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Cyclohexen-1-one, 2-methyl-5-(5-methyl-1-methylene-4-hexen-1-yl)-, (5R)-
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Cyclohexen-1-one, 2-methyl-5-(5-methyl-1-methylene-4-hexenyl)-, (5R)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Cyclohexen-1-one, 2-methyl-5-(5-methyl-1-methylene-4-hexenyl)-, (5R)-
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Cyclohexen-1-one, 2-methyl-5-(5-methyl-1-methylene-4-hexenyl)-, (R)-
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Cyclohexen-1-one, 2-methyl-5-(5-methyl-1-methylene-4-hexenyl)-, (R)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
5988-72-7
Role
alias
Source
HERB_v2
Preferred
No
Name
5988-72-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cryptomerione
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cryptomerione
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(5R)-2-methyl-5-(6-methylhepta-1,5-dien-2-yl)cyclohex-2-en-1-one(R)-2-Methyl-5-(6-methylhepta-1,5-dien-2-yl)cyclohex-2-enone(R)-Cryptomerione2-Cyclohexen-1-one, 2-methyl-5-(5-methyl-1-methylene-4-hexen-1-yl)-, (5R)-2-Cyclohexen-1-one, 2-methyl-5-(5-methyl-1-methylene-4-hexenyl)-, (5R)-2-Cyclohexen-1-one, 2-methyl-5-(5-methyl-1-methylene-4-hexenyl)-, (R)-5988-72-7Cryptomerione
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021788
Npass
NPC103189
Tcmid
4286
Sym Map
SMIT23166
Pub Chem
11964091
Tcmbank
TCMBANKIN014395
Etcm Ingredient
Cryptomerion
Itcmdb Generated
ITX-INGREDIENT-30AF7C34AEB5ITX-INGREDIENT-5B347FDB2DBD
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H22O/c1-11(2)6-5-7-12(3)14-9-8-13(4)15(16)10-14/h6,8,14H,3,5,7,9-10H2,1-2,4H3/t14-/m1/s1
Mol Wt
218.3399999999999
Smiles
CC1=CCC(CC1=O)C(=C)CCC=C(C)C
Mol Log P
4.214400000000004
Version
v2
In Ch Ikey
FNSXIWZZZIJORF-CQSZACIVSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.646
Num Hacceptors
1
Isomeric Smiles
CC1=CC[C@H](CC1=O)C(=C)CCC=C(C)C
Canonical Smiles
CC1=CCC(CC1=O)C(=C)CCC=C(C)C
Herb Alias Names
Cryptomerione(R)-Cryptomerione(R)-(-)-Cryptomerione(R)-2-Methyl-5-(6-methylhepta-1,5-dien-2-yl)cyclohex-2-enone(5R)-2-methyl-5-(6-methylhepta-1,5-dien-2-yl)cyclohex-2-en-1-one2-Cyclohexen-1-one, 2-methyl-5-(5-methyl-1-methylene-4-hexenyl)-, (5R)-2-Cyclohexen-1-one, 2-methyl-5-(5-methyl-1-methylene-4-hexenyl)-, (R)-2-Cyclohexen-1-one, 2-methyl-5-(5-methyl-1-methylene-4-hexen-1-yl)-, (5R)-(-)-Cryptomerione5988-72-7
Molecular Weight
218.170
Molecular Formula
C15H22O
Molecular Formula
C15H22O
Molecular Formula
C15H22O
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.052
Quantitative Estimate Of Drug Likeness（Qed）
0.650